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Amfenac-[d5] Sodium Hydrate

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General Information
Catalog: BLP-003284
Molecular Formula: C15H9D5NNaO4
Molecular Weight: 300.30

Chemical Structure

Description	Amfenac-[d5] Sodium Hydrate is a labelled sodium monohydrate of Amfenac. Amfenac is a COX inhibitor with IC50 of 0.25 and 0.15 μM for COX-1 and COX-2, respectively.
Synonyms	2-Amino-3-(benzoyl-d5)benzeneacetic Acid Sodium Salt Hydrate; [2-Amino-3-(benzoyl-d5)phenyl]acetic Acid; NSC 309467-d5
IUPAC Name	sodium;2-[2-amino-3-(2,3,4,5,6-pentadeuteriobenzoyl)phenyl]acetate;hydrate
Related CAS	61618-27-7 (unlabelled)
Canonical SMILES	C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)[O-].O.[Na+]
InChI	InChI=1S/C15H13NO3.Na.H2O/c16-14-11(9-13(17)18)7-4-8-12(14)15(19)10-5-2-1-3-6-10;;/h1-8H,9,16H2,(H,17,18);;1H2/q;+1;/p-1/i1D,2D,3D,5D,6D;;
InChI Key	QZNJPJDUBTYMRS-MWOUIWNMSA-M
Purity	> 98%